phenacyl 2,4-bis(chloranyl)-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: phenacyl 2,4-bis(chloranyl)-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: phenacyl 2,4-dichloro-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2,4-dichloro-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 2,4-dichloro-5-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2,4-dichloro-5-(4-methylpiperidino)sulfonyl-benzoic acid phenacyl ester Formula: C21H21Cl2NO5S MolecularWeight: 470.36614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OCC(=O)C3=CC=CC=C3)Cl)Cl

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OCC(=O)C3=CC=CC=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2NO5S/c1-14-7-9-24(10-8-14)30(27,28)20-11-16(17(22)12-18(20)23)21(26)29-13-19(25)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3